Structure-based virtual screening for plant-based EBβ-selective ligands as potential preventative therapy against age-related neurodegenerative diseases

Liqin Zhao, Roberta D. Brinton

Research output: Contribution to journalArticlepeer-review

85 Scopus citations

Abstract

ERβ has been associated with estrogen-induced promotion of memory function and neuronal survival. Based on the optimized complex structure of human ERβ LBD bound with genistein, computer-aided structure-based virtual screening against a natural source chemical database was conducted to determine the occurrence of plant-based ERβ-selective ligands. Twelve representative hits derived from database screening were assessed for their binding profiles to both ERs, three of which displayed over 100-fold binding selectivity to ERβ over ERα.

Original languageEnglish (US)
Pages (from-to)3463-3466
Number of pages4
JournalJournal of Medicinal Chemistry
Volume48
Issue number10
DOIs
StatePublished - May 19 2005
Externally publishedYes

ASJC Scopus subject areas

  • Molecular Medicine
  • Drug Discovery

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